1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide

C21H23F3N4O5S — CID 10481095

About 1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide

1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 10481095) has the molecular formula C21H23F3N4O5S and a molecular weight of 500.50 g/mol. Its IUPAC name is 1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
• PubChem CID: 10481095
• Molecular Formula: C21H23F3N4O5S
• Molecular Weight: 500.50 g/mol
• Exact Mass: 500.13
• IUPAC Name: 1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
• SMILES: O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCC(F)(F)F)cn3)cc2)CCN(C2CC2)CC1
• InChI: InChI=1S/C21H23F3N4O5S/c22-21(23,24)13-33-18-12-25-17(11-26-18)14-1-5-16(6-2-14)34(31,32)20(19(29)27-30)7-9-28(10-8-20)15-3-4-15/h1-2,5-6,11-12,15,30H,3-4,7-10,13H2,(H,27,29)
• InChIKey: GWWYIBNCGPZSOQ-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 121.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.50
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide?

The IUPAC name of 1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide (CID 10481095) is 1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide.

What is the SMILES notation for 1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide?

The canonical SMILES for 1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-c3cnc(OCC(F)(F)F)cn3)cc2)CCN(C2CC2)CC1.

What is the InChIKey of 1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide?

The InChIKey is GWWYIBNCGPZSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O5S/c22-21(23,24)13-33-18-12-25-17(11-26-18)14-1-5-16(6-2-14)34(31,32)20(19(29)27-30)7-9-28(10-8-20)15-3-4-15/h1-2,5-6,11-12,15,30H,3-4,7-10,13H2,(H,27,29).

What are the key properties of 1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide?

1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 500.50 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 10481095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).